methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate

C15H12F3NO3 — CID 142566690

IUPACmethyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Oc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C15H12F3NO3/c1-21-14(20)8-10-4-2-3-5-12(10)22-13-9-11(6-7-19-13)15(16,17)18/h2-7,9H,8H2,1H3
InChIKeyLBOJZXHDCIUKNH-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.61
Rot. Bonds4

About methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate

methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate (PubChem CID 142566690) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate
PubChem CID142566690
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Namemethyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Oc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C15H12F3NO3/c1-21-14(20)8-10-4-2-3-5-12(10)22-13-9-11(6-7-19-13)15(16,17)18/h2-7,9H,8H2,1H3
InChIKeyLBOJZXHDCIUKNH-UHFFFAOYSA-N
XLogP3.61
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate (CID 142566690) is methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate is COC(=O)Cc1ccccc1Oc1cc(C(F)(F)F)ccn1.
What is the InChIKey of methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate?
The InChIKey is LBOJZXHDCIUKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-21-14(20)8-10-4-2-3-5-12(10)22-13-9-11(6-7-19-13)15(16,17)18/h2-7,9H,8H2,1H3.
What are the key properties of methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate?
methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate has a molecular weight of 311.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate is sourced from PubChem (CID 142566690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).